Match electronic pol. charge
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run foss-mpi-min: [foss2023a-mpi] >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
| Value | Reference | Precision | Status |
| -7.841557280000000e+00 | -7.841557280000000e+00 | 3.920000000000000e-07 | PASS |
Command: GREPFIELD(pcm/pcm_info.out, ' 9 ', 7)